4,4-diamino-2-ethylbut-3-en-1-ol

C6H14N2O — CID 155659547

IUPAC4,4-diamino-2-ethylbut-3-en-1-ol
SMILESCCC(C=C(N)N)CO
InChIInChI=1S/C6H14N2O/c1-2-5(4-9)3-6(7)8/h3,5,9H,2,4,7-8H2,1H3
InChIKeyCPHQRGNPQOADQF-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.24
Rot. Bonds3

About 4,4-diamino-2-ethylbut-3-en-1-ol

4,4-diamino-2-ethylbut-3-en-1-ol (PubChem CID 155659547) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 4,4-diamino-2-ethylbut-3-en-1-ol.

Molecular Properties

Compound Name4,4-diamino-2-ethylbut-3-en-1-ol
PubChem CID155659547
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name4,4-diamino-2-ethylbut-3-en-1-ol
SMILESCCC(C=C(N)N)CO
InChIInChI=1S/C6H14N2O/c1-2-5(4-9)3-6(7)8/h3,5,9H,2,4,7-8H2,1H3
InChIKeyCPHQRGNPQOADQF-UHFFFAOYSA-N
XLogP-0.24
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-diamino-2-ethylbut-3-en-1-ol?
The IUPAC name of 4,4-diamino-2-ethylbut-3-en-1-ol (CID 155659547) is 4,4-diamino-2-ethylbut-3-en-1-ol.
What is the SMILES notation for 4,4-diamino-2-ethylbut-3-en-1-ol?
The canonical SMILES for 4,4-diamino-2-ethylbut-3-en-1-ol is CCC(C=C(N)N)CO.
What is the InChIKey of 4,4-diamino-2-ethylbut-3-en-1-ol?
The InChIKey is CPHQRGNPQOADQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-2-5(4-9)3-6(7)8/h3,5,9H,2,4,7-8H2,1H3.
What are the key properties of 4,4-diamino-2-ethylbut-3-en-1-ol?
4,4-diamino-2-ethylbut-3-en-1-ol has a molecular weight of 130.19 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diamino-2-ethylbut-3-en-1-ol is sourced from PubChem (CID 155659547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).